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TargetBeta-secretase 1
LigandBDBM50129285
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1523401 (CHEMBL3630428)
EC50 580±n/a nM
Citation Boy, KMGuernon, JMWu, YJZhang, YShi, JZhai, WZhu, SGerritz, SWToyn, JHMeredith, JEBarten, DMBurton, CRAlbright, CFGood, ACGrace, JELentz, KAOlson, REMacor, JEThompson, LA Macrocyclic prolinyl acyl guanidines as inhibitors of฿-secretase (BACE). Bioorg Med Chem Lett25:5040-7 (2015) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Beta-secretase 1
Name:Beta-secretase 1
Synonyms:ASP2 | Asp 2 | Aspartyl protease 2 | BACE | BACE1 | BACE1_HUMAN | Beta-secretase (BACE) | Beta-secretase 1 | Beta-secretase 1 (BACE 1) | Beta-secretase 1 (BACE-1) | Beta-secretase 1 (BACE1) | Beta-site APP cleaving enzyme 1 | Beta-site amyloid precursor protein cleaving enzyme 1 | KIAA1149 | Memapsin-2 | Membrane-associated aspartic protease 2 | beta-Secretase (BACE-1) | beta-Secretase (BACE1)
Type:Protein
Mol. Mass.:55755.10
Organism:Homo sapiens (Human)
Description:P56817
Residue:501
Sequence:
MAQALPWLLLWMGAGVLPAHGTQHGIRLPLRSGLGGAPLGLRLPRETDEEPEEPGRRGSF
VEMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHPFLHRYYQRQLSST
YRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGIL
GLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGAGFPLNQSEVLASVGGSMIIGGI
DHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKK
VFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRIT
ILPQQYLRPVEDVATSQDDCYKFAISQSSTGTVMGAVIMEGFYVVFDRARKRIGFAVSAC
HVHDEFRTAAVEGPFVTLDMEDCGYNIPQTDESTLMTIAYVMAAICALFMLPLCLMVCQW
RCLRCLRQQHDDFADDISLLK
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50129285
n/a
NameBDBM50129285
Synonyms:CHEMBL3627966
TypeSmall organic molecule
Emp. Form.C21H22Cl3N5O2
Mol. Mass.482.791
SMILESCC(=O)Nc1c(Cl)cc(CN\C(N)=N\C(=O)[C@@H]2CCCN2c2ccc(Cl)cc2)cc1Cl |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: